SCHEMBL3402386

SCHEMBL3402386

CCN(CC)CCN(C)C(=O)c1sc(-c2cc(C)ccc2C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.49
TRPM8 Q7Z2W7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
PARP1 P09874 1/20 0.36
POLB P06746 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3404998 0.89 HTR2C (0.47) HTR2CTRPM8KDM4ERAB9AGAA
SCHEMBL3404970 0.89 HTR2C (0.47) HTR2CTRPM8RAB9AKMT2AMEN1
SCHEMBL3400942 0.87 HTR2C (0.49) HTR2CTRPM8RAB9AKMT2AMEN1
SCHEMBL13309741 0.84 RAB9A (0.56) HTR2CTRPM8KDM4ERAB9AGAA
SCHEMBL3403609 0.83 HTR2C (0.62) HTR2CTRPM8RAB9AADORA2AADORA1
SCHEMBL3400771 0.83 HTR2C (0.45) HTR2CTRPM8KDM4ERAB9AGAA
SCHEMBL3396821 0.83 HTR2C (0.44) HTR2CTRPM8KDM4ERAB9AGAA
SCHEMBL3400343 0.83 HTR2C (0.47) HTR2CKDM4ERAB9AGAAKMT2A
SCHEMBL3401198 0.83 HTR2C (0.47) HTR2CTRPM8KMT2AMEN1PARP1
SCHEMBL3398602 0.82 HTR2C (0.57) HTR2CTRPM8RAB9AKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues LIGAND PHARMACEUTICALS, INC. (US) 2010-11-25 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
WO-2006089076-A9 THIAZOLE AMIDES, IMIDAZOLE AMIDES AND RELATED ANALOGUES NEUROGEN CORP (US) 2007-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100297035-A1 Thiazole Amides, Imidazole Amides and Related Analogues HRH3, HRH4, HRH2 HTR2C 416/4885TRPM8 455/4885KDM4E 3449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.